2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-methyl-6-[(3-nitro-1H-pyrrol-2-yl)amino]-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C29H27N5O4 MolecularWeight: 509.55578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)NC5=C(C=CN5)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)NC5=C(C=CN5)[N+](=O)[O-]

InChI

InChI=1S/C29H27N5O4/c1-3-6-26-32-27-18(2)15-21(31-28-24(34(37)38)13-14-30-28)16-25(27)33(26)17-19-9-11-20(12-10-19)22-7-4-5-8-23(22)29(35)36/h4-5,7-16,30-31H,3,6,17H2,1-2H3,(H,35,36)